%chk=000291127.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291127

0 1
Cl 1.387472 4.232078 -1.539786
O -1.774199 -3.016840 -0.022975
O -3.787710 -0.139925 -0.389956
O -4.594432 -0.740443 1.636915
N -1.217802 -0.821487 0.198071
N 1.320099 -2.001935 -0.969256
N 3.111419 -0.045574 1.241971
C -0.571668 0.377092 -0.259700
C 0.807291 0.394164 -0.572170
C 1.650092 -0.828828 -0.530617
C -2.188918 -0.711841 1.307500
C -1.082029 -2.099730 -0.409131
C -0.025929 -2.239484 -1.500081
C -1.330847 1.563270 -0.374850
C 1.408560 1.602646 -0.964792
C 3.027536 -0.695581 0.046260
C -0.730727 2.753948 -0.766513
C 0.639736 2.758955 -1.054694
C -3.649712 -0.557158 0.907890
C 4.149163 -1.228909 -0.612845
C 5.404473 -1.080760 -0.013585
C -5.147934 0.022183 -0.915192
C 4.336273 0.082727 1.808214
C 5.507782 -0.417048 1.210540
C -5.742212 1.321011 -0.415257
H -2.123012 -1.651208 1.929572
H -1.911078 0.132483 1.984532
H -0.041576 -3.301814 -1.864544
H -0.276063 -1.601142 -2.378773
H -2.409261 1.539851 -0.184448
H 2.477615 1.633072 -1.191138
H -1.317035 3.670377 -0.853745
H 4.033291 -1.761864 -1.556493
H 6.293028 -1.485728 -0.499124
H -4.946646 0.018690 -2.002036
H -5.742972 -0.861273 -0.621007
H 4.365318 0.604974 2.772519
H 6.471534 -0.290039 1.698425
H -6.710098 1.525588 -0.889971
H -5.914745 1.286034 0.671979
H -5.085978 2.176166 -0.615911


%chk=000291127-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291127

0 1
Cl 1.488606 4.593006 -1.277649
O -1.800939 -2.872654 -0.280072
O -3.846639 -0.260155 -0.415686
O -4.527926 -1.003302 1.690629
N -1.173817 -0.674094 0.149439
N 1.314838 -1.798525 -1.110830
N 3.453736 0.413566 0.793138
C -0.516493 0.542990 -0.237812
C 0.881740 0.582980 -0.547250
C 1.714249 -0.657351 -0.582026
C -2.136359 -0.672935 1.266603
C -1.086603 -1.877505 -0.576286
C -0.039238 -1.876716 -1.697152
C -1.272076 1.746331 -0.242282
C 1.476149 1.836433 -0.859586
C 3.100065 -0.648865 0.001382
C -0.672977 2.980064 -0.550133
C 0.701634 3.002764 -0.861843
C -3.624148 -0.681441 0.889894
C 3.981451 -1.735839 -0.247594
C 5.259763 -1.726240 0.344060
C -5.272056 -0.272619 -0.883677
C 4.694833 0.408060 1.356723
C 5.629515 -0.634700 1.166340
C -5.974876 1.037414 -0.519742
H -1.981946 -1.582700 1.872246
H -1.940908 0.202055 1.909601
H -0.137466 -2.826775 -2.241192
H -0.252376 -1.028641 -2.384406
H -2.346799 1.700181 -0.047469
H 2.543282 1.883543 -1.080902
H -1.263706 3.900394 -0.563157
H 3.634580 -2.554128 -0.883303
H 5.957001 -2.552141 0.168481
H -5.181944 -0.411176 -1.972439
H -5.775739 -1.142378 -0.427593
H 4.937501 1.274101 1.983063
H 6.612350 -0.589222 1.645760
H -6.996467 1.038057 -0.942764
H -6.057607 1.148106 0.574336
H -5.434085 1.906755 -0.933047


